JWD

5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline

Created:	2018-10-05
Last modified:	2019-01-23

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1 entries where JWD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	21

2D diagram of JWD

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Chemical Component Summary
Name	5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline
Systematic Name (OpenEye OEToolkits)	4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
Formula	C₁₉ H₁₇ N₃ O₂
Molecular Weight	319.357
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1c(cc3c(c1c2c(noc2C)C)cccn3)c4c(noc4C)C
SMILES	CACTVS	3.385	Cc1onc(C)c1c2cc3ncccc3c(c2)c4c(C)onc4C
SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C
Canonical SMILES	CACTVS	3.385	Cc1onc(C)c1c2cc3ncccc3c(c2)c4c(C)onc4C
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1c(c(on1)C)c2cc(c3cccnc3c2)c4c(noc4C)C
InChI	InChI	1.03	InChI=1S/C19H17N3O2/c1-10-18(12(3)23-21-10)14-8-16(19-11(2)22-24-13(19)4)15-6-5-7-20-17(15)9-14/h5-9H,1-4H3
InChIKey	InChI	1.03	FMFYPUWWJKSKRP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137319657

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